| SpectraBase Compound ID | LUUUZMgFP5h |
|---|---|
| InChI | InChI=1S/C30H51NO4/c1-20(8-13-27(33)31-18-6-4-5-7-28(34)35)24-11-12-25-23-10-9-21-19-22(32)14-16-29(21,2)26(23)15-17-30(24,25)3/h20-26,32H,4-19H2,1-3H3,(H,31,33)(H,34,35)/t20-,21-,22-,23+,24-,25+,26+,29+,30-/m1/s1 |
| InChIKey | DECWHYXIEHRKCB-WJTFPOEJSA-N |
| Mol Weight | 489.7 g/mol |
| Molecular Formula | C30H51NO4 |
| Exact Mass | 489.381809 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AJLJ7gwgcBQ |
|---|---|
| Name | N-(6-caproic acid)lithocholylamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H51NO4 |
| InChI | InChI=1S/C30H51NO4/c1-20(8-13-27(33)31-18-6-4-5-7-28(34)35)24-11-12-25-23-10-9-21-19-22(32)14-16-29(21,2)26(23)15-17-30(24,25)3/h20-26,32H,4-19H2,1-3H3,(H,31,33)(H,34,35)/t20-,21-,22-,23+,24-,25+,26+,29+,30-/m1/s1 |
| InChIKey | DECWHYXIEHRKCB-WJTFPOEJSA-N |
| Molecular Weight | 489.741 g/mol |
| SMILES | O[C@@]1(CC[C@]2([C@](CC[C@]3([C@]4([C@@]([C@@]([C@@](CCC(=O)NCCCCCC(=O)O)(C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])(C1)[H])C)[H] |
| SPLASH | splash10-0230-1900500000-b097c5c902fdc5ef3e0a |
| Source of Spectrum | O-29-335-0 |
| Synonyms | 6-{[(3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl]amino}hexanoic acid |
| Wiley ID | 1397094 |